9-[6-azanyl-5-methyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[6-azanyl-5-methyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-amino-5-methyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-amino-5-methyl-2-(methylamino)-4-pyrimidinyl]-3-(2-methoxy-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-amino-5-methyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-amino-5-methyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)pelargonic acid Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)NC)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OC

Isomeric SMILES

CC1=C(N=C(N=C1N)NC)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OC

InChI

InChI=1S/C20H30N6O3/c1-13-16(25-19(22-2)26-18(13)21)9-7-5-4-6-8-14(10-17(27)28)15-11-23-20(29-3)24-12-15/h11-12,14H,4-10H2,1-3H3,(H,27,28)(H3,21,22,25,26)